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Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?
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Autores
Orientador(es)
Resumo(s)
During the past decade, decreasing the attrition rate of drug development candidates reaching the market has become one of the major challenges in pharmaceutical research and drug development (R&D). To facilitate the decision-making process, and to increase the probability of rapidly finding and developing high-quality compounds, a variety of multiparametric guidelines, also known as rules and ligand efficiency (LE) metrics, have been developed. However, what are the 'best' descriptors and how far can we simplify these drug-likeness prediction tools in terms of the numerous, complex properties that they relate to?
Descrição
Palavras-chave
Drug design Drug discovery Pharmaceutical preparations Filters in medicinal chemistry . Faculdade de Ciências Exatas e da Engenharia Centro de Química da Madeira
Contexto Educativo
Citação
Mignani, S., Rodrigues, J., Tomas, H., Jalal, R., Singh, P. P., Majoral, J. P., & Vishwakarma, R. A. (2018). Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?. Drug discovery today, 23(3), 605-615.
Editora
Elsevier